Klaus Braagaard Møller

  • Kemitorvet 207, 206, 231

    2800 Kgs. Lyngby


1990 …2021

Research activity per year

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Personal profile


My field of research is theoretical and computational physical chemistry with emphasis on chemical dynamics. Research topics include quantum theory, semi-classical mechanics, reaction dynamics and ultrafast time-resolved experimental techniques; with applications to photochemistry, (photo-)catalysis, and solar cells.

Computational techniques include electronic-structure and wave-packet quantum calculations, semi-classical methods, and Molecular Dynamics simulations; using own codes, freeware, and commercial program suites. 

Collaborators are both theoretical and experimental groups at DTU Chemistry and Physics, University of Copenhagen, and in France, Germany, South Korea, Spain, Sweden, and USA.

Other information

Visiting Lecturer, Department of Chemistry, KAIST, Daejeon, South Korea, 2006

Young Researcher, Departement de Chimie, Ecole Normale Superieure, Paris, France, 2001-2002

Postdoctoral Scholar, Division of Chemistry, Caltech, Pasadena, CA, USA, 1997-2001

Visiting Scientist, Center for Advanced Studies and Research, Mexico City, Mexico, 1997

Research assistant, Department of Physics, Harvard University, Cambridge, MA, USA, 1994-95

Education/Academic qualification

Ph.D., DTU


Ph.d., DTU


M.Sc., DTU


M.Sc., DTU



  • User defined:
  • Theoretical Chemistry
  • Computational Chemistry
  • Chemical Dynamics


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